Geometry & MOs

Info

ID:	86608
PubChem CID:	49887566
Reduced:	INCl2S2O6H16C24 (1)
Stoich.:	ABC2D2E6F16G24 (1)
Weight, g/mol:	362.049191
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	4.78
IP(EA), eV:	-9.43(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[5-(dimethylamino)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)I)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations